INCITE Overview Lattice QCD Computational Science Workshop April 30, Julia C. White, INCITE Manager

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1 INCITE Overview Lattice QCD Computational Science Workshop April 30, 2013 Julia C. White, INCITE Manager

2 Origin of Leadership Computing Facility Department of Energy High-End Computing Revitalization Act of 2004 (Public Law ): The Secretary of Energy, acting through the Office of Science, shall Establish and operate Leadership Systems Facilities Provide access [to Leadership Systems Facilities] on a competitive, merit-reviewed basis to researchers in U.S. industry, institutions of higher education, national laboratories and other Federal agencies 2

3 Separation of selection processes for leadership-class computing and DOE capability computing Up to 30% ASCR DOE/SC capability computing Leadership-class computing 60% INCITE Total LCF allocable resource time 2008 ASCAC Committee of Visitors Recommendation 1 The selection processes for leadership class and DOE capability class computing should be separated. A significant portion of computational resources should be allocated to high-end DOE capability-class computing using a similar INCITE-type process. 3

4 What is INCITE? Innovative and Novel Computational Impact on Theory and Experiment INCITE promotes transformational advances in science and technology through large allocations of computer time, supporting resources, and data storage at the Argonne and Oak Ridge Leadership Computing Facilities (LCFs) for computationally intensive, large-scale research projects. 4

5 INCITE breakthroughs since inception A few of the many science and engineering advances Hours requested vs. allocated: ~2X per year ~3X per year Hours allocated 4.9M 6.5M 18.2M 95M 268M 889M 1.6B 1.7B 1.7B 5B Projects Researchers solved the 2D Hubbard model and resented evidence that it predicts HTSC behavior Phys. Rev. Lett 2005 Modeling of molecular basis of Parkinson s disease named #1 computational accomplishment Breakthroughs 2008 Largest simulation of a galaxy s worth of dark matter, showed for the first time the fractal-like appearance of dark matter substructures. Nature (2008), Science (2009) World s first continuous simulation of 21,000 years of Earth s climate history. Science (2009) Largest-ever LES of a full-sized commercial combustion chamber used in an existing helicopter turbine Unprecedented simulation of magnitude-8 earthquake over 125-square miles, Proceedings, SC10 NIST proposes new standard reference materials from LCF concrete simulations Calculation of the number of bound nuclei in nature, Nature (2012) New method to rapidly determine protein structure, with limited experimental data Science (2010), Nature (2011) OMEN breaks the petascale barrier using more than 220,000 cores, Proceedings SC10 5

6 INCITE criteria Access on a competitive, merit-reviewed basis* 1 Merit criterion Research campaign with the potential for significant domain and/or community impact 2 Computational leadership criterion Computationally intensive runs that cannot be done anywhere else: capability, architectural needs 3 Eligibility criterion Grant allocations regardless of funding source* Non-US-based researchers are welcome to apply *DOE High-End Computing Revitalization Act of 2004: Public Law

7 2013 INCITE statistics Request for Information helped attract new projects Call closed June 27 th, 2012 Total requests ~15 billion core-hours, 3x more than the 5 billion core-hours requested last year Number of proposals submitted increased nearly 20% Awards of ~5 billion core-hours for CY projects awarded of which 20 are renewals Acceptance rates 33% of nonrenewal submittals and 100% of renewals Contact information Julia C. White, INCITE Manager 7

8 2013 award statistics, by system Jaguar Titan Mira Intrepid 2012 INCITE 2013 INCITE 2013 INCITE 2012 INCITE 2013 INCITE Number projects* Average Project 27M 58M 78M 24M 27M Median Project 23M 49.5M 45M 20M 25M * Totals of 32 projects at the OLCF, 37 projects at the ALCF (many of the ALCF projects received time on both Mira and Intrepid) Titan Mira Intrepid Total Awards (Hrs in CY2013) 1.84B 2.11B 0.721B 8

9 2013 INCITE panel peer reviewers > 50% (e.g. more than 40) of the reviewers are: Society fellows (AAAS, APS, SIAM, IEEE, etc), Agency awardees (ex. NSF Early Career), Laboratory fellows, National Academy members, National Society presidents 41% participated in the 2012 INCITE review 83 science experts participated in the 2013 INCITE panel review. 9

10 Innovative and Novel Computational Impact on Theory and Experiment INCITE is an annual, peer-review allocation program that provides unprecedented computational and data science resources 5 billion core-hours to be awarded for 2014 on the 27-petaflops Cray XK7 Titan and the 10-petaflops IBM BG/Q Mira Average award: 50+ million core-hours Individual awards will be up to several hundred million core-hours INCITE is open to any science domain INCITE seeks computationally intensive, large-scale research campaigns 2014 INCITE Call for Proposals The INCITE program seeks proposals for high-impact science and technology research challenges that require the power of the leadership-class systems. Allocations will be for calendar year April 15 June 28, 2013 Contact information Julia C. White, INCITE Manager 10

11 Proposal form: Outline 1 Principal investigator and co-principal investigators 2 Project title (80 characters) 3 Research category 4 Project summary (50 words) 5 Computational resources requested 6 Funding sources 7 Other high-performance computing support for this project 8 Project narrative, other materials (A) Executive summary (1 page) (B) Project narrative including impact of the work, objectives, benchmarking (15 pages) (C) Personnel justification & management plan (D) Milestone table (E) Publications resulting from INCITE Awards (*new*) (F) Request for Information Data Management Plan (*new*) 9 Application packages 10 Proprietary and sensitive information 11 Export control 12 Monitor information 11

12 Narrative: Impact of the work DO explain the broader impact of the work INCITE fields requests from DOE and non-doe sources, numerous science areas, etc. DO connect milestones hours needed science impact 140M Titan core-hours equivalent to $7 million: Describe in the proposal the potential return on this type of investment. Outline how the time is to be used. Break down the thrust areas by milestones. 12

13 Narrative: New for 2014 Call for Proposals Publications resulting from INCITE awards To show impact of the INCITE program, we ask authors to list the publications from previous INCITE awards to this project team for work related to the proposal under consideration Include only publications with INCITE acknowledgements Facilities MUST show impact of their resources 13

14 Narrative: New for 2014 Call for Proposals Request for Information Data Management Plan (DMP) We plan to implement in future solicitations a requirement for a formal DMP as part of the proposal. Submit a short document, not to exceed one page, which describes your anticipated future data management strategies and needs. [Note: this is for INCITE management and will not be included in the materials sent to reviewers.] This is part of the LCF 10-Year Strategic Plan 14

15 Awards decision-making INCITE seeks grand-challenge-scale proposals and carries out a rigorous peer review to identify those of the highest potential impact. The INCITE Awards Committee identifies top-ranked proposals by: peer-review panel rating and reports additional considerations, e.g. promote use of HPC by underrepresented communities Individual awards granted are to: Ensure sufficient allocation to enable all or part of the proposed scientific achievements Maximize the scientific support for each INCITE project Allocate all of the available INCITE hours at each site 15

16 PI responsibilities Submit quarterly status updates (on supplied template) Milestone reports Publications, awards, journal covers, presentations, etc., related to the work Tell us about highlights on significant science/engineering accomplishments as they occur Complete annual surveys Communications should be frequent: Consider the value of the INCITE award. We expect to work closely with the project to generate highlights of research accomplishments. 16

17 INCITE program organization Leadership Computing Facility INCITE Program Julia White, Manager ALCF Michael Papka OLCF James Hack Susan Coghlan, ALCF Deputy Division Director Arthur Bland, OLCF Project Director Science Panel Reviewers Chair works with INCITE manager to identify and invite reviewers Computational Readiness Review Leaders Bronson Messer, OLCF James Osborn, ALCF Directors of Science Jack Wells, OLCF Paul Messina, ALCF Access and Monitoring Leaders Ashley Barker, OLCF Richard Coffey, ALCF 17

18 Contacts For details about the INCITE program: General information Proposal site For details about the centers: